CCL:G: Java Molecular Editor 08 Released

[Vlad <vvv900-$-anusf.anu.edu.au>]

 Sent to CCL by: Vlad [vvv900- -anusf.anu.edu.au]
 Dear CCLers,
 We are pleased to announce the release of Java Molecular Editor (JMolEditor) 08.
Java Molecular Editor (JMolEditor) is a program for displaying,
 analyzing, editing, and converting molecular systems. JMolEditor
 is written in Java, so it is a cross-platform application.
It has intuitive interface and inbuilt help system. JMolEditor can be
 used also for the analysis to display molecular orbitals,
 electron densities and electrostatic potentials from the Gaussian.
A full description of JMolEditor and its documentation are available
 via the JMolEditor WWW home page:
 http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/index.html
 System requirements: Java Virtual Machine (JVM) >= 1.5 and Java3d >= 1.4.
 Key features in JMolEditor include:
 - Molecular builder/editor
 - - (http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/manual/editing-molecule/index.html)
 - Ability to read and visualize popular Computational Chemistry formats
 - - (http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/input-files.html):
 - - Gaussian (input, output, cube, fragment, trajectory)
 - - ADF (input, output)
 - - Gamess (input and output)
 - - Mopac (input and output)
 - - QChem (input and output)
 - - VASP (input, vasprun.xml)
 - - Amber (prmtop files)
 - - Gromacs  (gro files)
 - - GULP (input)
 - - Siesta input (in development)
 - - PDB, Tripos Mol2, MDL molfile, XMol XYZ
 - Output
 - - Gaussian input
 - - XMol XYZ
 - - Tripos Mol2
 - - PDB
 - - Povray
 - Visualization of the OOGL off files
 - Ability to load and visualize Computational Chemistry files from SFTP server
- Visualization of molecular orbitals, electron densities,
 electrostatic potentials and mapped surfaces from the Gaussian Cube
 files
 - Interactive Charting
 - - (http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/manual/charting/index.html)
 - - ability to display plots of energy and other quantities from calculations
 that produce multiple structures among their results
 - - ability to interact with a plot to view corresponding structure
 - - supported formats: gaussian and ADF output, Vasprun.xml files
 -  Vibrational Analysis
 - - http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/manual/frequencies/index.html
 - - ability to display various spectra (Infrared, Raman, etc.) based on
 information from Gaussian frequency calculation
 - - ability to animate vibrations for selected frequency
 - - ability to show displacement vectors for selected frequency
 - Tools
 - - In-built SFTP browser (http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/manual/sftp-browser/index.html)
 - Tutorials
 - - Gaussian (http://sf.anu.edu.au/~vvv900/cct/appl/jmoleditor/manual/tutorials/index.html)
Future plans include support of periodic/crystal structures, writing
 documentation and tutorials, interfaces to additional
 computational packages, etc.
JMolEditor is also a free, open source, cross-platform Computational
 Chemistry Toolkit which could be extended and/or used in
 other applications. Source code is provided under the Apache2, GPL, and
 LGPL licenses
 (http://sf.anu.edu.au/~vvv900/cct/api/index.html). So, the
 developers who like challenge and aggressive programming are welcome
 to contribute.
 Regards,
 Vlad
 ===============
 Dr. Vladislav Vasilyev
 Supercomputer Facility
 The Australian National University
 Canberra, ACT, 0200, Australia